CID 155820749

2460754-80-5

Structural Information

Molecular Formula
C7H9ClF2O4S
SMILES
COC(=O)C1(CC(C1)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H9ClF2O4S/c1-14-5(11)6(4-15(8,12)13)2-7(9,10)3-6/h2-4H2,1H3
InChIKey
KGYQHBHBBHOPPI-UHFFFAOYSA-N
Compound name
methyl 1-(chlorosulfonylmethyl)-3,3-difluorocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.98782 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99510 139.9
[M+Na]+ 284.97704 147.6
[M-H]- 260.98054 141.2
[M+NH4]+ 280.02164 155.0
[M+K]+ 300.95098 147.7
[M+H-H2O]+ 244.98508 131.9
[M+HCOO]- 306.98602 148.8
[M+CH3COO]- 321.00167 190.7
[M+Na-2H]- 282.96249 144.1
[M]+ 261.98727 152.2
[M]- 261.98837 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.